2-(piperidine-1-carbonyl)cyclohex-2-en-1-one

C12H17NO2 — CID 15548453

IUPAC2-(piperidine-1-carbonyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C(=O)N1CCCCC1
InChIInChI=1S/C12H17NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h6H,1-5,7-9H2
InChIKeyBSFHFULXINUWOE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.68
Rot. Bonds1

About 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one

2-(piperidine-1-carbonyl)cyclohex-2-en-1-one (PubChem CID 15548453) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)cyclohex-2-en-1-one
PubChem CID15548453
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(piperidine-1-carbonyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C(=O)N1CCCCC1
InChIInChI=1S/C12H17NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h6H,1-5,7-9H2
InChIKeyBSFHFULXINUWOE-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one (CID 15548453) is 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one is O=C1CCCC=C1C(=O)N1CCCCC1.
What is the InChIKey of 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one?
The InChIKey is BSFHFULXINUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h6H,1-5,7-9H2.
What are the key properties of 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one?
2-(piperidine-1-carbonyl)cyclohex-2-en-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)cyclohex-2-en-1-one is sourced from PubChem (CID 15548453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).